1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-benzyl-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3S/c1-11-15(22(24)25)12(2)21(20-11)9-8-14(23)18-19-16(26)17-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,23)(H2,17,19,26)